CID 113253

Einecs 264-226-3

Structural Information

Molecular Formula
C24H21NO5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OCCC4=CC=C(C=C4)CCO)N
InChI
InChI=1S/C24H21NO5/c25-22-19(30-12-10-15-7-5-14(6-8-15)9-11-26)13-18(27)20-21(22)24(29)17-4-2-1-3-16(17)23(20)28/h1-8,13,26-27H,9-12,25H2
InChIKey
OKZRROQYZKWXOV-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-[2-[4-(2-hydroxyethyl)phenyl]ethoxy]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

403.14197 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14925 195.6
[M+Na]+ 426.13119 203.4
[M-H]- 402.13469 201.1
[M+NH4]+ 421.17579 206.6
[M+K]+ 442.10513 197.4
[M+H-H2O]+ 386.13923 186.2
[M+HCOO]- 448.14017 212.6
[M+CH3COO]- 462.15582 225.8
[M+Na-2H]- 424.11664 197.5
[M]+ 403.14142 197.1
[M]- 403.14252 197.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe